Heptacene

Base Information

• Chemical Name: Heptacene
• CAS No.: 258-38-8
• Molecular Formula: C30H18
• Molecular Weight: 378.46400
• UNII: BC329D8R2F
• DSSTox Substance ID: DTXSID50420113
• Nikkaji Number: J761.516G
• Wikipedia: Heptacene
• Wikidata: Q1572618
• Metabolomics Workbench ID: 54841
• Mol file: 258-38-8.mol

Synonyms:heptacene

Chemical Property of Heptacene

Chemical Property:

• Vapor Pressure: 2E-17mmHg at 25°C
• Boiling Point: 677oC at 760 mmHg
• Flash Point: 360.6oC
• PSA: 0.00000
• Density: 1.286g/cm3
• LogP: 8.60580
• XLogP3: 8.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 378.140850574
• Heavy Atom Count: 30
• Complexity: 516

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C=C3C=C4C=C5C=C6C=C7C=CC=CC7=CC6=CC5=CC4=CC3=CC2=C1

Technology Process of Heptacene

There total 11 articles about Heptacene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

7,16-dihydro-7,16-methanoheptacen-19-one → heptacene (258-38-8)

Guidance literature:

In neat (no solvent); at 220 ℃; for 0.25h; Inert atmosphere;

DOI:10.1002/chem.201805975

Reference yield:

Δ5a(17a),8a(14a)-hexacosahydro-heptacene → heptacene (258-38-8)

Guidance literature:

With palladium on activated charcoal; at 375 ℃;

DOI:10.1021/ja01609a055

Reference yield:

7,16-dihydro-7,16-ethanoheptacene-19,20-dione (939960-92-6) → heptacene (258-38-8)

Guidance literature:

Photolysis; in poly(methylmethacrylate) matrix;

DOI:10.1021/ja063823i

upstream raw materials:

7,16-dihydro-7,16-ethanoheptacene-19,20-dione

Δ^{5a(17a),8a(14a)}-tetracosahydro-heptacene-7,16-dione

7,16-heptacenequinone

5,9,14,18-tetrahydroheptacene

Refernces

• 1、 Einholz, Ralf,Fang, Treliant,Berger, Robert,Grüninger, Peter,Früh, Andreas,Chassé, Thomas,Fink, Reinhold F.,Bettinger, Holger F.. "Heptacene: Characterization in Solution, in the Solid State, and in Films". . p. 4435 - 4442. Retrieved 2017.
• 2、 Miyazaki, Takaaki,Watanabe, Motonori,Matsushima, Toshinori,Chien, Ching-Ting,Adachi, Chihaya,Sun, Shih-Sheng,Furuta, Hiroyuki,Chow, Tahsin J.. "Heptacene: Synthesis and Its Hole-Transfer Property in Stable Thin Films". . p. 10677 - 10684. Retrieved 2021.
• 3、 Zuzak, Rafal,Dorel, Ruth,Kolmer, Marek,Szymonski, Marek,Godlewski, Szymon,Echavarren, Antonio M.. "Higher Acenes by On-Surface Dehydrogenation: From Heptacene to Undecacene". . p. 10500 - 10505. Retrieved 2018/08/17.